5-(4-tert-butylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(4-tert-butylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-tert-butylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-tert-butylphenyl)-3-(4-morpholin-4-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-tert-butylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-tert-butylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3

InChI

InChI=1S/C17H23N3O2S/c1-17(2,3)14-6-4-13(5-7-14)15-18-20(16(23)22-15)12-19-8-10-21-11-9-19/h4-7H,8-12H2,1-3H3/p+1